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PUBCHEM-ZINC05950785

 MMsINC code: MMs03457342
Type: Neutral
Formula: C10H19FO2
SMILES:   FCCCCCC(CC(O)=O)(C)C
InChI:   InChI=1/C10H19FO2/c1-10(2,8-9(12)13)6-4-3-5-7-11/h3-8H2,1-2H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.4792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.258 g/mol  logS: -2.45818  SlogP: 3.0172  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0937401  Sterimol/B1: 2.19472  Sterimol/B2: 2.37489  Sterimol/B3: 3.987
  Sterimol/B4: 4.87435  Sterimol/L: 14.6072 
 
 Surface and Volume Properties
  Accessible surface: 411.545  Positive charged surface: 283.535  Negative charged surface: 128.01  Volume: 196.25
  Hydrophobic surface: 260.549  Hydrophilic surface: 150.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.